C153H238O33 — CID 159055335
3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate;2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] prop-2-enoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate (PubChem CID 159055335) has the molecular formula C153H238O33 and a molecular weight of 2605.55 g/mol. Its IUPAC name is 3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate;2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] prop-2-enoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate.
| Compound Name | 3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate;2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] prop-2-enoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate |
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| PubChem CID | 159055335 |
| Molecular Formula | C153H238O33 |
| Molecular Weight | 2605.55 g/mol |
| Exact Mass | 2603.69 |
| IUPAC Name | 3-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate;2-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylprop-2-enoate;2-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;3-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-yl 2-methylprop-2-enoate;2-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] prop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] prop-2-enoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylprop-2-enoate |
| SMILES | C=C(C)C(=O)OC(C)(C)C1CC2(CC)CCC1O2.C=C(C)C(=O)OC(C)(C)C1CC2CCC1(CO)O2.C=C(C)C(=O)OC(C)(C)C1CC2CCC1(COC)O2.C=C(C)C(=O)OC(CC)(CC)C1CC2(CC)CCC1O2.C=C(C)C(=O)OC(CC)(CC)C1CC2CCC1(COC)O2.C=C(C)C(=O)OC(CC)(CC)C1CC2CCC1O2.C=C(C)C(=O)OC1(C2CC3CCC2O3)CCCC1.C=C(C)C(=O)OC1(C2CC3CCC2O3)CCCCC1.C=CC(=O)OC1(C2CC3CCC2O3)CCCC1.C=CC(=O)OC1(C2CC3CCC2O3)CCCCC1 |
| InChI | InChI=1S/C17H28O4.C17H28O3.C16H24O3.C15H24O4.2C15H22O3.2C15H24O3.C14H22O4.C14H20O3/c1-6-16(7-2,21-15(18)12(3)4)14-10-13-8-9-17(14,20-13)11-19-5;1-6-16-10-9-14(19-16)13(11-16)17(7-2,8-3)20-15(18)12(4)5;1-11(2)15(17)19-16(8-4-3-5-9-16)13-10-12-6-7-14(13)18-12;1-10(2)13(16)19-14(3,4)12-8-11-6-7-15(12,18-11)9-17-5;1-10(2)14(16)18-15(7-3-4-8-15)12-9-11-5-6-13(12)17-11;1-2-14(16)18-15(8-4-3-5-9-15)12-10-11-6-7-13(12)17-11;1-6-15-8-7-12(17-15)11(9-15)14(4,5)18-13(16)10(2)3;1-5-15(6-2,18-14(16)10(3)4)12-9-11-7-8-13(12)17-11;1-9(2)12(16)18-13(3,4)11-7-10-5-6-14(11,8-15)17-10;1-2-13(15)17-14(7-3-4-8-14)11-9-10-5-6-12(11)16-10/h13-14H,3,6-11H2,1-2,4-5H3;13-14H,4,6-11H2,1-3,5H3;12-14H,1,3-10H2,2H3;11-12H,1,6-9H2,2-5H3;11-13H,1,3-9H2,2H3;2,11-13H,1,3-10H2;11-12H,2,6-9H2,1,3-5H3;11-13H,3,5-9H2,1-2,4H3;10-11,15H,1,5-8H2,2-4H3;2,10-12H,1,3-9H2 |
| InChIKey | JXTZBMVLMFRFKW-UHFFFAOYSA-N |
| XLogP | 29.95 |
| TPSA | 393.99 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 186 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2605.55 |
| LogP ≤ 5 | 29.95 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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